SCHEMBL734615

SCHEMBL734615

Brc1cc(I)c(I)cc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.39
APEX1 P27695 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CHEK1 O14757 1/20 0.33
DAPK3 O43293 1/20 0.33
RET P07949 1/20 0.33
PDGFRB P09619 1/20 0.33
PIM1 P11309 1/20 0.33
PDGFRA P16234 1/20 0.33
KDR P35968 1/20 0.33
MAPK8 P45983 1/20 0.33
RPS6KA3 P51812 1/20 0.33
LIMK1 P53667 1/20 0.33
TYRO3 Q06418 1/20 0.33
MAPK14 Q16539 1/20 0.33
LRRK2 Q5S007 1/20 0.33
AURKB Q96GD4 1/20 0.33
TTR P02766 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29514547 1.00 AHR (0.39) AHRAPEX1CA1CA2CA9
SCHEMBL733492 0.83 APEX1 (0.33) AHRAPEX1CA1CA2CA9
SCHEMBL10122745 0.77 KDM1A (0.31) AHRCA1CA2CA9
SCHEMBL16193369 0.72
SCHEMBL2697849 0.72 CA1 (0.32) AHRAPEX1CA1CA2CA9
SCHEMBL797174 0.71 TTR (0.38) TTR
SCHEMBL356698 0.71 AHR (0.50) AHRAPEX1CA1CA2CYP3A4
SCHEMBL1191944 0.68 KDM1A (0.34) CA1CA2CA9
SCHEMBL19570526 0.68 BCHE (0.33) CHEK1DAPK3RETPDGFRBPIM1
SCHEMBL20152427 0.68 BCHE (0.33) CHEK1DAPK3RETPDGFRBPIM1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118324660-A Pyrene derivative and preparation method and application thereof 中国石油化工股份有限公司 2024-07-12 CN disclosed
CN-116813502-A Tetraphenyl benzene derivative with high-level dipole orientation and preparation method and application thereof 中国石油化工股份有限公司 2023-09-29 CN disclosed
CN-111689995-B High-solubility triaryl carbon borate and preparation method and application thereof 万华化学集团股份有限公司 2023-09-19 CN disclosed
CN-114181220-B Solenoid-shaped magnetic carbon nano material and preparation method thereof 中国科学技术大学 2023-03-10 CN disclosed
CN-114181220-A Solenoid-shaped magnetic carbon nano material and preparation method thereof 中国科学技术大学 2022-03-15 CN disclosed
CN-111689995-A High-solubility triaryl carbon borate and preparation method and application thereof 万华化学集团股份有限公司 2020-09-22 CN disclosed
EP-2067782-B2 HETEROACENE DERIVATIVE, TETRAHALOTERPHENYL DERIVATIVE, AND THEIR PRODUCTION METHODS TOSOH CORP (JP) 2018-06-27 EP disclosed
EP-1867623-B1 TERPHENYLENE DERIVATIVES, TETRAHALOTERPHENYL DERIVATIVES AND PROCESSES FOR THE PRODUCTION OF BOTH TOSOH CORP (JP) 2017-05-10 EP disclosed
EP-2067782-B1 HETEROACENE DERIVATIVE, TETRAHALOTERPHENYL DERIVATIVE, AND THEIR PRODUCTION METHODS TOSOH CORP (JP) 2014-08-13 EP disclosed
US-8138355-B2 Heteroacene derivative, tetrahaloterphenyl derivative, and processes for producing the same TOSOH CORPORATION (JP) 2012-03-20 US disclosed
US-7985885-B2 Terphenylene derivative, tetrahaloterphenyl derivative, and processes for producing both TOSOH CORPORATION (JP) 2011-07-26 US disclosed
US-20090261300-A1 HETEROACENE DERIVATIVE, TETRAHALOTERPHENYL DERIVATIVE, AND PROCESSES FOR PRODUCING THE SAME TOSOH CORPORATION (JP) 2009-10-22 US disclosed
EP-2067782-A1 HETEROACENE DERIVATIVE, TETRAHALOTERPHENYL DERIVATIVE, AND THEIR PRODUCTION METHODS Tosoh Corporation (JP) 2009-06-10 EP disclosed
US-20090023957-A1 TERPHENYLENE DERIVATIVE, TETRAHALOTERPHENYL DERIVATIVE, AND PROCESSES FOR PRODUCING BOTH TOSOH CORPORATION (JP) 2009-01-22 US disclosed
EP-1867623-A1 TERPHENYLENE DERIVATIVES, TETRAHALOTERPHENYL DERIVATIVES AND PROCESSES FOR THE PRODUCTION OF BOTH Tosoh Corporation (JP) 2007-12-19 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090261300-A1 HETEROACENE DERIVATIVE, TETRAHALOTERPHENYL DERIVATIVE, AND PROCESSES FOR PRODUCING THE SAME AS3MT, TERT, TEAD1 AHR 544/4885APEX1 1657/4885CA1 233/4885
US-20090023957-A1 TERPHENYLENE DERIVATIVE, TETRAHALOTERPHENYL DERIVATIVE, AND PROCESSES FOR PRODUCING BOTH TERT, TLN1, TTI1 AHR 2156/4885APEX1 1375/4885CA1 1015/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.